(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide

C14H26N4O4 — CID 173330890

IUPAC(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(C)=O
InChIInChI=1S/C14H26N4O4/c1-8(2)7-11(18(6)10(4)19)13(21)16-9(3)12(20)17-14(22)15-5/h8-9,11H,7H2,1-6H3,(H,16,21)(H2,15,17,20,22)/t9-,11+/m1/s1
InChIKeyCAUVWYYQIBDNSN-KOLCDFICSA-N
MW314.39 g/mol
LogP-0.16
Rot. Bonds6

About (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide

(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide (PubChem CID 173330890) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
PubChem CID173330890
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(C)=O
InChIInChI=1S/C14H26N4O4/c1-8(2)7-11(18(6)10(4)19)13(21)16-9(3)12(20)17-14(22)15-5/h8-9,11H,7H2,1-6H3,(H,16,21)(H2,15,17,20,22)/t9-,11+/m1/s1
InChIKeyCAUVWYYQIBDNSN-KOLCDFICSA-N
XLogP-0.16
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide 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)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
CID 129049376
(2S)-2-[[(2S)-2-[[2-(fluoroamino)-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoic acid
CID 90193895
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
CID 160730867
(2S)-N,4-dimethyl-2-[methyl-[(2R)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]-N-[(2S)-4-methyl-1-[methyl-[(3S)-2-methyl-4-oxopentan-3-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 58616910
3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 66138721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide (CID 173330890) is (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide is CNC(=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(C)=O.
What is the InChIKey of (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide?
The InChIKey is CAUVWYYQIBDNSN-KOLCDFICSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-8(2)7-11(18(6)10(4)19)13(21)16-9(3)12(20)17-14(22)15-5/h8-9,11H,7H2,1-6H3,(H,16,21)(H2,15,17,20,22)/t9-,11+/m1/s1.
What are the key properties of (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide?
(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide has a molecular weight of 314.39 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 173330890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).