N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

C12H22N4O5 — CID 22099199

IUPACN-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCC(N)=O
InChIInChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyFGSNBBSHVNLDMX-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.74
Rot. Bonds8

About N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (PubChem CID 22099199) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
PubChem CID22099199
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC NameN-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCC(N)=O
InChIInChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyFGSNBBSHVNLDMX-UHFFFAOYSA-N
XLogP-1.74
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
2-[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]propanoylamino]acetic acid
CID 22703250
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 122212313
2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide
CID 142971518
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 175735933
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 175827009

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (CID 22099199) is N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The canonical SMILES for N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is CC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCC(N)=O.
What is the InChIKey of N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The InChIKey is FGSNBBSHVNLDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20).
What are the key properties of N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide has a molecular weight of 302.33 g/mol, XLogP of -1.74, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 22099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).