2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid

C10H19N3O4 — CID 4182583

IUPAC2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyXMPXVJIDADUOQB-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds7

About 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid (PubChem CID 4182583) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
PubChem CID4182583
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyXMPXVJIDADUOQB-UHFFFAOYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18487702
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]propanoic acid
CID 18487683
(2S,3S)-2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]-3-methylpentanoic acid
CID 119194294
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoic acid
CID 18487694
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730
(2S,3S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 10041460
(3S)-3-[[2-[[(2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid
CID 10218148
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 18235686
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18221046

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid (CID 4182583) is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)CNC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid?
The InChIKey is XMPXVJIDADUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid?
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 4182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).