N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C13H20N4O4 — CID 146490463

IUPACN-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESC[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c1-9(3-2-7-15-13(14)21)16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)(H3,14,15,21)/t9-/m1/s1
InChIKeyDEPWRVVUFZWQNE-SECBINFHSA-N
MW296.33 g/mol
LogP-0.75
Rot. Bonds8

About N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 146490463) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID146490463
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESC[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c1-9(3-2-7-15-13(14)21)16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)(H3,14,15,21)/t9-/m1/s1
InChIKeyDEPWRVVUFZWQNE-SECBINFHSA-N
XLogP-0.75
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 171818132
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentanoyl]amino]pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 129179686
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanamide
CID 142800854
4-[[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]amino]-3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxobutanoic acid
CID 146181329
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]pentanoyl]amino]pentanoyl]amino]phenyl]methyl 2,3-dimethylbutanoate
CID 138512651
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
CID 91395797
5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoic acid;propane
CID 156647066
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2R)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]phenyl]methyl acetate
CID 175618109
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-propylhexanamide
CID 70965533
N-[(2S)-1-[[(4S)-1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 155302718
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propylamino]acetyl]amino]-3-methylbutanoyl]amino]pentanoic acid
CID 69466849
(5S)-2-[3-(carbamoylamino)propyl]-N-(2-deuterioethyl)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanamide
CID 158843747

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 146490463) is N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide is C[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is DEPWRVVUFZWQNE-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9(3-2-7-15-13(14)21)16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)(H3,14,15,21)/t9-/m1/s1.
What are the key properties of N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 296.33 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 146490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).