(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide

C10H22N4O2 — CID 119497921

IUPAC(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC(C)N
InChIInChI=1S/C10H22N4O2/c1-3-4-8(14-10(12)16)9(15)13-6-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16)/t7?,8-/m1/s1
InChIKeyJKUFIGCLTGFONN-BRFYHDHCSA-N
MW230.31 g/mol
LogP-0.32
Rot. Bonds7

About (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide

(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide (PubChem CID 119497921) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide.

Molecular Properties

Compound Name(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
PubChem CID119497921
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC(C)N
InChIInChI=1S/C10H22N4O2/c1-3-4-8(14-10(12)16)9(15)13-6-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16)/t7?,8-/m1/s1
InChIKeyJKUFIGCLTGFONN-BRFYHDHCSA-N
XLogP-0.32
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide?
The IUPAC name of (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide (CID 119497921) is (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide.
What is the SMILES notation for (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide?
The canonical SMILES for (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide is CCC[C@@H](NC(N)=O)C(=O)NCCC(C)N.
What is the InChIKey of (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide?
The InChIKey is JKUFIGCLTGFONN-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-3-4-8(14-10(12)16)9(15)13-6-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide?
(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide has a molecular weight of 230.31 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide is sourced from PubChem (CID 119497921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).