N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide

C10H20N4O3 — CID 163972321

IUPACN-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
SMILESCCC(NC(=O)C(C)N)C(=O)NC(C)C(N)=O
InChIInChI=1S/C10H20N4O3/c1-4-7(14-9(16)5(2)11)10(17)13-6(3)8(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeySRBMXBZCGGKTBI-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.78
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide

N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide (PubChem CID 163972321) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
PubChem CID163972321
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
SMILESCCC(NC(=O)C(C)N)C(=O)NC(C)C(N)=O
InChIInChI=1S/C10H20N4O3/c1-4-7(14-9(16)5(2)11)10(17)13-6(3)8(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeySRBMXBZCGGKTBI-UHFFFAOYSA-N
XLogP-1.78
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 164513510
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
CID 126634892
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
(3S)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 102061471
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-amino-N-[1-oxo-1-[[1-oxo-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]amino]propan-2-yl]propanamide;2-[2-(propanoylamino)propanoylamino]propanamide
CID 91125359
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide (CID 163972321) is N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide is CCC(NC(=O)C(C)N)C(=O)NC(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide?
The InChIKey is SRBMXBZCGGKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-4-7(14-9(16)5(2)11)10(17)13-6(3)8(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide?
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide has a molecular weight of 244.29 g/mol, XLogP of -1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide is sourced from PubChem (CID 163972321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).