(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide

C11H20N4O4 — CID 173443479

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C)C=O)C(N)=O
InChIInChI=1S/C11H20N4O4/c1-6(5-16)14-9(17)4-3-8(10(13)18)15-11(19)7(2)12/h5-8H,3-4,12H2,1-2H3,(H2,13,18)(H,14,17)(H,15,19)/t6-,7-,8+/m0/s1
InChIKeyWSFWFXOCHWVZTE-BIIVOSGPSA-N
MW272.31 g/mol
LogP-2.21
Rot. Bonds8

About (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide

(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide (PubChem CID 173443479) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
PubChem CID173443479
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C)C=O)C(N)=O
InChIInChI=1S/C11H20N4O4/c1-6(5-16)14-9(17)4-3-8(10(13)18)15-11(19)7(2)12/h5-8H,3-4,12H2,1-2H3,(H2,13,18)(H,14,17)(H,15,19)/t6-,7-,8+/m0/s1
InChIKeyWSFWFXOCHWVZTE-BIIVOSGPSA-N
XLogP-2.21
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-(6-oxohexyl)pentanediamide
CID 173333706
(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 155057842
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate
CID 174966771
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 102515548
(4S)-4-[[(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]-(6-aminohexanoyl)amino]-5-oxopentanoic acid
CID 54166080
benzyl (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 12873811
(4R)-5-amino-4-[[(2S)-2-(hexanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 101061468
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide
CID 144997349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide (CID 173443479) is (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide is C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C)C=O)C(N)=O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide?
The InChIKey is WSFWFXOCHWVZTE-BIIVOSGPSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-6(5-16)14-9(17)4-3-8(10(13)18)15-11(19)7(2)12/h5-8H,3-4,12H2,1-2H3,(H2,13,18)(H,14,17)(H,15,19)/t6-,7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide?
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide has a molecular weight of 272.31 g/mol, XLogP of -2.21, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide is sourced from PubChem (CID 173443479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).