[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid

C12H22N4O5 — CID 21156605

IUPAC[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)O)C(N)=O
InChIInChI=1S/C12H22N4O5/c1-4-6(2)9(10(13)18)16-11(19)7(3)15-8(17)5-14-12(20)21/h6-7,9,14H,4-5H2,1-3H3,(H2,13,18)(H,15,17)(H,16,19)(H,20,21)
InChIKeyIZIALDRLGCEZGS-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.23
Rot. Bonds8

About [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid

[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid (PubChem CID 21156605) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid
PubChem CID21156605
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)O)C(N)=O
InChIInChI=1S/C12H22N4O5/c1-4-6(2)9(10(13)18)16-11(19)7(3)15-8(17)5-14-12(20)21/h6-7,9,14H,4-5H2,1-3H3,(H2,13,18)(H,15,17)(H,16,19)(H,20,21)
InChIKeyIZIALDRLGCEZGS-UHFFFAOYSA-N
XLogP-1.23
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid with MolForge

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Related Compounds

2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 71472030
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 22706159
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 175738098
(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 101128246
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methylpentanoyl]amino]acetic acid
CID 18232769
(2S,3S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 101137791
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]propanoic acid
CID 18487683
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
2-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid
CID 22700718
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide
CID 129449877

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid (CID 21156605) is [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid is CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)O)C(N)=O.
What is the InChIKey of [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid?
The InChIKey is IZIALDRLGCEZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-4-6(2)9(10(13)18)16-11(19)7(3)15-8(17)5-14-12(20)21/h6-7,9,14H,4-5H2,1-3H3,(H2,13,18)(H,15,17)(H,16,19)(H,20,21).
What are the key properties of [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid?
[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid has a molecular weight of 302.33 g/mol, XLogP of -1.23, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 21156605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).