(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid

C8H16N2O4 — CID 146277637

IUPAC(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid
SMILESCCCC(O)C(C(N)=O)[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-3-4(11)5(7(10)12)6(9)8(13)14/h4-6,11H,2-3,9H2,1H3,(H2,10,12)(H,13,14)/t4?,5?,6-/m0/s1
InChIKeyNSTGVMPUYRCPCJ-WRVKLSGPSA-N
MW204.23 g/mol
LogP-1.34
Rot. Bonds6

About (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid

(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid (PubChem CID 146277637) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid
PubChem CID146277637
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid
SMILESCCCC(O)C(C(N)=O)[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-3-4(11)5(7(10)12)6(9)8(13)14/h4-6,11H,2-3,9H2,1H3,(H2,10,12)(H,13,14)/t4?,5?,6-/m0/s1
InChIKeyNSTGVMPUYRCPCJ-WRVKLSGPSA-N
XLogP-1.34
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
2-amino-3-fluorohexanoic acid
CID 2737444
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
(2R,3S)-2,5-diamino-3-hydroxypentanoic acid
CID 14780344
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
(2S,3S)-2-bromo-3-hydroxyhexanoic acid
CID 131169369
(2S)-2-amino-3-hydroxyoctanamide
CID 87747002
2-(1-aminobutyl)-3-methylbutanedioic acid
CID 88698723
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid?
The IUPAC name of (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid (CID 146277637) is (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid.
What is the SMILES notation for (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid?
The canonical SMILES for (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid is CCCC(O)C(C(N)=O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid?
The InChIKey is NSTGVMPUYRCPCJ-WRVKLSGPSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-3-4(11)5(7(10)12)6(9)8(13)14/h4-6,11H,2-3,9H2,1H3,(H2,10,12)(H,13,14)/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid?
(2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-carbamoyl-4-hydroxyheptanoic acid is sourced from PubChem (CID 146277637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).