(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide

C11H21N3O3 — CID 177167076

IUPAC(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide
SMILESC=CCCCNC(=O)[C@@H](CO)NC(=O)CCN
InChIInChI=1S/C11H21N3O3/c1-2-3-4-7-13-11(17)9(8-15)14-10(16)5-6-12/h2,9,15H,1,3-8,12H2,(H,13,17)(H,14,16)/t9-/m1/s1
InChIKeyBVBAMLIGWDIYDR-SECBINFHSA-N
MW243.31 g/mol
LogP-1.11
Rot. Bonds9

About (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide

(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide (PubChem CID 177167076) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide
PubChem CID177167076
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide
SMILESC=CCCCNC(=O)[C@@H](CO)NC(=O)CCN
InChIInChI=1S/C11H21N3O3/c1-2-3-4-7-13-11(17)9(8-15)14-10(16)5-6-12/h2,9,15H,1,3-8,12H2,(H,13,17)(H,14,16)/t9-/m1/s1
InChIKeyBVBAMLIGWDIYDR-SECBINFHSA-N
XLogP-1.11
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid
CID 10683528
N-[1-(octadecylamino)-1-oxo-4-sulfanylbutan-2-yl]undec-10-enamide
CID 102143506
N-[3-amino-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356517
[3-[[(2R)-3-hydroxy-1-(5-methylhexylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]azanide;rubidium(1+)
CID 171639589
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
N-(2-aminoethyl)pent-4-enamide
CID 62679699
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
8-amino-N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]octanamide
CID 71591729
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide?
The IUPAC name of (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide (CID 177167076) is (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide.
What is the SMILES notation for (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide?
The canonical SMILES for (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide is C=CCCCNC(=O)[C@@H](CO)NC(=O)CCN.
What is the InChIKey of (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide?
The InChIKey is BVBAMLIGWDIYDR-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-3-4-7-13-11(17)9(8-15)14-10(16)5-6-12/h2,9,15H,1,3-8,12H2,(H,13,17)(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide?
(2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide has a molecular weight of 243.31 g/mol, XLogP of -1.11, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminopropanoylamino)-3-hydroxy-N-pent-4-enylpropanamide is sourced from PubChem (CID 177167076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).