[(2S)-2-aminopropyl]carbamic acid

C4H10N2O2 — CID 87683504

IUPAC[(2S)-2-aminopropyl]carbamic acid
SMILESC[C@H](N)CNC(=O)O
InChIInChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyRHDKRUOESWZLQS-VKHMYHEASA-N
MW118.14 g/mol
LogP-0.40
Rot. Bonds2

About [(2S)-2-aminopropyl]carbamic acid

[(2S)-2-aminopropyl]carbamic acid (PubChem CID 87683504) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is [(2S)-2-aminopropyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-aminopropyl]carbamic acid
PubChem CID87683504
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name[(2S)-2-aminopropyl]carbamic acid
SMILESC[C@H](N)CNC(=O)O
InChIInChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyRHDKRUOESWZLQS-VKHMYHEASA-N
XLogP-0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropyl]carbamic acid?
The IUPAC name of [(2S)-2-aminopropyl]carbamic acid (CID 87683504) is [(2S)-2-aminopropyl]carbamic acid.
What is the SMILES notation for [(2S)-2-aminopropyl]carbamic acid?
The canonical SMILES for [(2S)-2-aminopropyl]carbamic acid is C[C@H](N)CNC(=O)O.
What is the InChIKey of [(2S)-2-aminopropyl]carbamic acid?
The InChIKey is RHDKRUOESWZLQS-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of [(2S)-2-aminopropyl]carbamic acid?
[(2S)-2-aminopropyl]carbamic acid has a molecular weight of 118.14 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropyl]carbamic acid is sourced from PubChem (CID 87683504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).