(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide

C11H17N5O2 — CID 70213624

IUPAC(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N5O2/c12-8(4-3-7-15-11(13)18)10(17)16-9-5-1-2-6-14-9/h1-2,5-6,8H,3-4,7,12H2,(H3,13,15,18)(H,14,16,17)/t8-/m0/s1
InChIKeyBAIYMABPYWKAAW-QMMMGPOBSA-N
MW251.29 g/mol
LogP-0.20
Rot. Bonds6

About (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide

(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide (PubChem CID 70213624) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide
PubChem CID70213624
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N5O2/c12-8(4-3-7-15-11(13)18)10(17)16-9-5-1-2-6-14-9/h1-2,5-6,8H,3-4,7,12H2,(H3,13,15,18)(H,14,16,17)/t8-/m0/s1
InChIKeyBAIYMABPYWKAAW-QMMMGPOBSA-N
XLogP-0.20
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide
CID 141443223
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
[4-[[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl acetate
CID 118017261
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
CID 18609889
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide?
The IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide (CID 70213624) is (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide?
The canonical SMILES for (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide is NC(=O)NCCC[C@H](N)C(=O)Nc1ccccn1.
What is the InChIKey of (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide?
The InChIKey is BAIYMABPYWKAAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-8(4-3-7-15-11(13)18)10(17)16-9-5-1-2-6-14-9/h1-2,5-6,8H,3-4,7,12H2,(H3,13,15,18)(H,14,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide?
(2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide has a molecular weight of 251.29 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(carbamoylamino)-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 70213624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).