(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide

C10H19N3O2 — CID 135259459

IUPAC(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide
SMILESC=C(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC
InChIInChI=1S/C10H19N3O2/c1-6(2)12-10(15)8(4)13-9(14)7(3)11-5/h7-8,11H,1H2,2-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyMFHOQQJOKWRXHN-YUMQZZPRSA-N
MW213.28 g/mol
LogP-0.25
Rot. Bonds5

About (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide

(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide (PubChem CID 135259459) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide
PubChem CID135259459
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide
SMILESC=C(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC
InChIInChI=1S/C10H19N3O2/c1-6(2)12-10(15)8(4)13-9(14)7(3)11-5/h7-8,11H,1H2,2-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKeyMFHOQQJOKWRXHN-YUMQZZPRSA-N
XLogP-0.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide (CID 135259459) is (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide is C=C(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC.
What is the InChIKey of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide?
The InChIKey is MFHOQQJOKWRXHN-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)12-10(15)8(4)13-9(14)7(3)11-5/h7-8,11H,1H2,2-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide?
(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide has a molecular weight of 213.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-(prop-1-en-2-ylamino)propan-2-yl]propanamide is sourced from PubChem (CID 135259459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).