(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide

C10H16N4O2 — CID 175501556

IUPAC(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide
SMILESNC(=O)CC[C@H](N)C(=O)CCn1ccnc1
InChIInChI=1S/C10H16N4O2/c11-8(1-2-10(12)16)9(15)3-5-14-6-4-13-7-14/h4,6-8H,1-3,5,11H2,(H2,12,16)/t8-/m0/s1
InChIKeyNCJWYTNKYGFWSJ-QMMMGPOBSA-N
MW224.26 g/mol
LogP-0.56
Rot. Bonds7

About (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide

(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide (PubChem CID 175501556) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide.

Molecular Properties

Compound Name(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide
PubChem CID175501556
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide
SMILESNC(=O)CC[C@H](N)C(=O)CCn1ccnc1
InChIInChI=1S/C10H16N4O2/c11-8(1-2-10(12)16)9(15)3-5-14-6-4-13-7-14/h4,6-8H,1-3,5,11H2,(H2,12,16)/t8-/m0/s1
InChIKeyNCJWYTNKYGFWSJ-QMMMGPOBSA-N
XLogP-0.56
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-ylpropanamide;hydrate
CID 70092717
methyl 2-amino-4-imidazol-1-ylbutanoate
CID 63041628
3-imidazol-1-ylpropanoyl chloride
CID 19872160
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
(3S)-5-(3-imidazol-1-ylpropanoylamino)-3-methylpentanamide
CID 173104435
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
(2R)-2-amino-3-(3-imidazol-1-ylpropylsulfanyl)propanoic acid
CID 61493042
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide?
The IUPAC name of (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide (CID 175501556) is (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide.
What is the SMILES notation for (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide?
The canonical SMILES for (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide is NC(=O)CC[C@H](N)C(=O)CCn1ccnc1.
What is the InChIKey of (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide?
The InChIKey is NCJWYTNKYGFWSJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8(1-2-10(12)16)9(15)3-5-14-6-4-13-7-14/h4,6-8H,1-3,5,11H2,(H2,12,16)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide?
(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide has a molecular weight of 224.26 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide is sourced from PubChem (CID 175501556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).