3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid

C11H21N3O4 — CID 60989657

IUPAC3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-7(2)9(13-11(12)18)10(17)14(3)6-5-8(15)16/h7,9H,4-6H2,1-3H3,(H,15,16)(H3,12,13,18)
InChIKeyZVFTZQKAHNIMSC-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.00
Rot. Bonds7

About 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid

3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid (PubChem CID 60989657) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
PubChem CID60989657
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-7(2)9(13-11(12)18)10(17)14(3)6-5-8(15)16/h7,9H,4-6H2,1-3H3,(H,15,16)(H3,12,13,18)
InChIKeyZVFTZQKAHNIMSC-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid
CID 55096778
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]propanoate
CID 54997524
2-[tert-butyl-[2-(carbamoylamino)-3-methylpentanoyl]amino]acetic acid
CID 79266303
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
CID 119232901
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid (CID 60989657) is 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid is CCC(C)C(NC(N)=O)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
The InChIKey is ZVFTZQKAHNIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-7(2)9(13-11(12)18)10(17)14(3)6-5-8(15)16/h7,9H,4-6H2,1-3H3,(H,15,16)(H3,12,13,18).
What are the key properties of 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid?
3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(carbamoylamino)-3-methylpentanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).